REMARK  Name = BDB008468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.979  -1.102  -0.392  0.00  0.00    -0.290 NA
ATOM      2  C   LIG    1       -0.768   0.299   0.031  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1        0.681   0.621  -0.085  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.708  -0.293  -0.078  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        1.434  -1.687   0.064  0.00  0.00    +0.085 A 
ATOM      6  N   LIG    1        2.325  -2.628   0.069  0.00  0.00    -0.174 NA
ATOM      7  N   LIG    1        3.675  -2.495  -0.079  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1        4.153  -3.392  -0.053  0.00  0.00    +0.192 HD
ATOM      9  C   LIG    1        4.582  -1.465  -0.235  0.00  0.00    +0.272 A 
ATOM     10  C   LIG    1        4.233  -0.036  -0.311  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        5.234   0.940  -0.471  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        4.915   2.297  -0.555  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        3.587   2.731  -0.486  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        2.602   1.752  -0.325  0.00  0.00    +0.048 A 
ATOM     15  O   LIG    1        5.778  -1.767  -0.317  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        2.911   0.392  -0.235  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1        1.227   1.866  -0.234  0.00  0.00    -0.356 N 
ATOM     18  H   LIG    1        0.714   2.736  -0.286  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1       -0.047  -2.047   0.297  0.00  0.00    +0.142 C 
ENDROOT
BRANCH   1  20
ATOM     20  C   LIG    1       -2.372  -1.540  -0.161  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.467  -0.724  -0.901  0.00  0.00    +0.099 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.656   1.351  -1.188  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1       -3.853   0.552  -0.257  0.00  0.00    -0.307 NA
ATOM     24  C   LIG    1       -4.610   0.332   0.978  0.00  0.00    +0.104 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 3